3-[[3-[[4-(5-chloranyl-2-methoxy-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-oxidanyl-propyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[3-[[4-(5-chloranyl-2-methoxy-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-oxidanyl-propyl]-methyl-amino]propanenitrile Openeye Name: 3-[[3-[[4-(5-chloro-2-methoxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-hydroxy-propyl]-methyl-amino]propanenitrile CAS Name: 3-[[3-[[4-(5-chloro-2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-2-hydroxypropyl]-methylamino]propanenitrile IUPAC Name: 3-[[3-[[4-(5-chloro-2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-hydroxypropyl]-methylamino]propanenitrile Traditional Name: 3-[[3-[[4-(5-chloro-2-methoxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-2-hydroxy-propyl]-methyl-amino]propionitrile Formula: C24H23ClF3N3O3S MolecularWeight: 525.97093

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)OC)O

Isomeric SMILES

CN(CCC#N)CC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)OC)O

InChI

InChI=1S/C24H23ClF3N3O3S/c1-31(9-3-8-29)12-16(32)13-35-22-21(18-11-15(25)5-7-20(18)34-2)17-10-14(24(26,27)28)4-6-19(17)30-23(22)33/h4-7,10-11,16,32H,3,9,12-13H2,1-2H3,(H,30,33)